Synthesis, QSAR Study and Pharmacological Evaluation of Novel Triazolidine-2-thione Analogues as Antimicrobial, Anti-inflammatory and Antioxidant Agents

IF 1.6 4区医学 Q4 BIOCHEMICAL RESEARCH METHODS Combinatorial chemistry & high throughput screening Pub Date : 2025-03-11 DOI:10.2174/1386207326666230302101657

Abhishek Sharma, Rubina Bhutani, Akanksha Gupta, Manni Dutta

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Abstract

Background: The triazole analogues are molecules of immense attraction because of their wide pharmacological applications.

Methods: Present research deals with the synthesis of triazole-2-thione analogues and their QSAR study. The synthesized analogs are also evaluated for their antimicrobial, anti-inflammatory, and antioxidant effect.

Results: It was revealed that the benzamide analogues (3a, 3d) and triazolidine analogue (4b) were found to be most active against P. aeruginosa and E. coli with pMIC values of 1.69, 1.69 and 1.72, respectively. The antioxidant study of the derivatives showed that 4b was the most active antioxidant with 79% protein denaturation inhibition. The highest anti-inflammatory activity was shown by 3f, 4a and 4f.

Conclusion: This study provides certain potent leads for further development of more potential anti- inflammatory, antioxidant and antimicrobial agents.

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作为抗菌、消炎和抗氧化剂的新型三唑烷-2-硫酮类似物的合成、QSAR 研究和药理评估。

背景：三唑类似物因其广泛的药理应用而具有巨大的吸引力：本研究涉及三唑-2-硫酮类似物的合成及其 QSAR 研究。方法：本研究涉及三唑-2-硫酮类似物的合成及其 QSAR 研究，还评估了合成的类似物的抗菌、抗炎和抗氧化作用：结果表明，苯甲酰胺类似物（3a、3d）和三唑烷类似物（4b）对铜绿假单胞菌和大肠杆菌的活性最强，pMIC 值分别为 1.69、1.69 和 1.72。衍生物的抗氧化研究表明，4b 是最有效的抗氧化剂，蛋白质变性抑制率为 79%。3f、4a 和 4f 的抗炎活性最高：本研究为进一步开发更多潜在的抗炎、抗氧化和抗菌剂提供了一些有力的线索。

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来源期刊

Combinatorial chemistry & high throughput screening 化学-生化研究方法

CiteScore

3.10

自引率

5.60%

发文量

327

审稿时长

7.5 months

期刊介绍： Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews/mini-reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal: Target identification and validation Assay design, development, miniaturization and comparison High throughput/high content/in silico screening and associated technologies Label-free detection technologies and applications Stem cell technologies Biomarkers ADMET/PK/PD methodologies and screening Probe discovery and development, hit to lead optimization Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) Chemical library design and chemical diversity Chemo/bio-informatics, data mining Compound management Pharmacognosy Natural Products Research (Chemistry, Biology and Pharmacology of Natural Products) Natural Product Analytical Studies Bipharmaceutical studies of Natural products Drug repurposing Data management and statistical analysis Laboratory automation, robotics, microfluidics, signal detection technologies Current & Future Institutional Research Profile Technology transfer, legal and licensing issues Patents.